4-methylbenzenesulfonic acid; 2-methylidene-5-(trimethylazaniumyl)pentanoate

Systemtic Name: 4-methylbenzenesulfonic acid; 2-methylidene-5-(trimethylazaniumyl)pentanoate Openeye Name: 4-methylbenzenesulfonic acid; 2-methylene-5-(trimethylammonio)pentanoate CAS Name: 4-methylbenzenesulfonic acid; 2-methylene-5-(trimethylammonio)pentanoate IUPAC Name: 4-methylbenzenesulfonic acid; 2-methylidene-5-(trimethylazaniumyl)pentanoate Traditional Name: tosylic acid; 2-[3-(trimethylammonio)propyl]acrylate Formula: C16H25NO5S MolecularWeight: 343.4384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+](C)(C)CCCC(=C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C[N+](C)(C)CCCC(=C)C(=O)[O-]

InChI

InChI=1S/C9H17NO2.C7H8O3S/c1-8(9(11)12)6-5-7-10(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h1,5-7H2,2-4H3;2-5H,1H3,(H,8,9,10)